6NOQ

Xanthomonas citri Phospho-PGM in complex with mannose-1-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-01-31
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.700, 54.640, 173.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.253 - 1.610
R-factor	0.2102
Rwork	0.207
R-free	0.27070
RMSD bond length	0.006
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.253	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.311	1.784
Rmeas	0.324	1.904
Rpim	0.092	0.652
Number of reflections	55020	2656
<I/σ(I)>	7	0.7
Completeness [%]	100.0	99.6
Redundancy	12.1	8.2
CC(1/2)	0.991	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	22% PEG 8000, 0.2M MgCl, 0.1M HEPES